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    Vebicorvir

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: 2090064-66-5, Vebicorvir [inn], Vebicorvir [usan], Abi-h0731, 16f6055smg, 11-oxo-n-((2-(trifluoromethyl)thiazol-5-yl)methyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5,5-dioxide
    Molecular Formula
    C19H12F3N3O4S2
    Molecular Weight
    467.4  g/mol
    InChI Key
    LBJVBJYMZKEREY-UHFFFAOYSA-N
    FDA UNII
    16F6055SMG
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6,11,11-trioxo-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
    2.1.2 InChI
    InChI=1S/C19H12F3N3O4S2/c20-19(21,22)18-24-9-11(30-18)8-23-16(26)10-5-6-15-13(7-10)25-17(27)12-3-1-2-4-14(12)31(15,28)29/h1-7,9H,8H2,(H,23,26)(H,25,27)
    2.1.3 InChI Key
    LBJVBJYMZKEREY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C(=O)NC3=C(S2(=O)=O)C=CC(=C3)C(=O)NCC4=CN=C(S4)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    16F6055SMG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2090064-66-5

    2. Vebicorvir [inn]

    3. Vebicorvir [usan]

    4. Abi-h0731

    5. 16f6055smg

    6. 11-oxo-n-((2-(trifluoromethyl)thiazol-5-yl)methyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5,5-dioxide

    7. 5,5,11-trioxo-10,11-dihydro-5h-dibenzo[b,f][1,4]thiazepine-8-carboxylic Acid (2-trifluoromethyl-thiazol-5-ylmethyl)-amide

    8. Dibenzo(b,f)(1,4)thiazepine-8-carboxamide, 10,11-dihydro-11-oxo-n-((2-(trifluoromethyl)-5-thiazolyl)methyl)-, 5,5-dioxide

    9. Vebicorvir [who-dd]

    10. Unii-16f6055smg

    11. Chembl4650324

    12. Schembl21250344

    13. Who 11201

    14. Hy-109195

    15. Cs-0119137

    16. 11-oxo-n-((2-(trifluoromethyl)thiazol-5-yl)methyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide5,5-dioxide

    17. 5,5,11-trioxo-n-((2-(trifluoromethyl)-1,3-thiazol-5-yl)methyl)-10,11-dihydro-5h- 5.lambda.6-dibenzo(b,f)(1,4)thiazepine-8-carboxamide

    18. 6,11,11-trioxo-n-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-5h-benzo[b][1,4]benzothiazepine-3-carboxamide

    2.4 Create Date
    2019-11-02
    3 Chemical and Physical Properties
    Molecular Weight 467.4 g/mol
    Molecular Formula C19H12F3N3O4S2
    XLogP32.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count3
    Exact Mass467.02213271 g/mol
    Monoisotopic Mass467.02213271 g/mol
    Topological Polar Surface Area142 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity817
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1